diethyl-[[2-[[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]methyl]phenyl]methyl]azanium

Systemtic Name: diethyl-[[2-[[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: diethyl-[[2-[[[2-methyl-5-(1-piperidylsulfonyl)benzoyl]amino]methyl]phenyl]methyl]ammonium CAS Name: diethyl-[[2-[[[[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: diethyl-[[2-[[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]methyl]phenyl]methyl]azanium Traditional Name: diethyl-[2-[[(2-methyl-5-piperidinosulfonyl-benzoyl)amino]methyl]benzyl]ammonium Formula: C25H36N3O3S+ MolecularWeight: 458.63664

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)C

Isomeric SMILES

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)C

InChI

InChI=1S/C25H35N3O3S/c1-4-27(5-2)19-22-12-8-7-11-21(22)18-26-25(29)24-17-23(14-13-20(24)3)32(30,31)28-15-9-6-10-16-28/h7-8,11-14,17H,4-6,9-10,15-16,18-19H2,1-3H3,(H,26,29)/p+1